3,5,8a-Trimethyl-6,7,8,9-tetrahydrobenzo[f][1]benzofuran-4-one
| Internal ID | f0bdb1c5-abad-4723-bb6c-8ac4bc2cc770 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | 3,5,8a-trimethyl-6,7,8,9-tetrahydrobenzo[f][1]benzofuran-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H18O2/c1-9-5-4-6-15(3)7-11-12(10(2)8-17-11)14(16)13(9)15/h8H,4-7H2,1-3H3 |
| InChI Key | NKPGPFRAHOCSPY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O2 |
| Molecular Weight | 230.30 g/mol |
| Exact Mass | 230.130679813 g/mol |
| Topological Polar Surface Area (TPSA) | 30.20 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 3,5,8a-Trimethyl-6,7,8,9-tetrahydrobenzo[f][1]benzofuran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/358a-trimethyl-6789-tetrahydrobenzof1benzofuran-4-one.jpg "2D Structure of 3,5,8a-Trimethyl-6,7,8,9-tetrahydrobenzo[f][1]benzofuran-4-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 99.00% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.64% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.41% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.63% | 91.11% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 88.18% | 95.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.97% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.29% | 93.04% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.89% | 96.77% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.97% | 96.21% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 83.82% | 95.53% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.81% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.47% | 86.33% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.31% | 96.25% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.01% | 96.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.46% | 94.45% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Ocotea pulchella |
| PubChem | 163006480 |
| LOTUS | LTS0078487 |
| wikiData | Q104172597 |